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Compound Detail

CHEMBL4300756

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CCN1/C(=C/c2ccc3cc(I)ccc3[n+]2CC)C=Cc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300756
Phase Preclinical
Structure Type MOL
InChI Key NAOCNZWZLOGKAU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
5.65
ALogP
1
HBA
0
HBD
7.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22IN2+
MW 453.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.60

Data from ChEMBL 36 via Core Engine